1-Aza-niumyl-cyclo-butane-1-carboxyl-ate monohydrate

Ray J Butcher; Greg Brewer; Aaron S Burton; Jason P Dworkin

doi:10.1107/S1600536813033217

1-Aza-niumyl-cyclo-butane-1-carboxyl-ate monohydrate

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 29;70(Pt 2):o217-8. doi: 10.1107/S1600536813033217. eCollection 2014 Feb 1.

Authors

Ray J Butcher¹, Greg Brewer², Aaron S Burton³, Jason P Dworkin⁴

Affiliations

¹ Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
² Department of Chemistry, Catholic University of America, Washington, DC 20064, USA.
³ NASA Johnson Space Center, Astromaterial and Exploration Science Directorate, Houston, TX 77058, USA.
⁴ Solar System Exploration Division, NASA Goddard Space Flight Center, Greenbelt, MD 20771, USA.

Abstract

In the title compound, C5H9NO2·H2O, the amino acid is in the usual zwitterionic form involving the α-carboxyl-ate group. The cyclo-butane backbone of the amino acid is disordered over two conformations, with occupancies of 0.882 (7) and 0.118 (7). In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the zwitterions [with the water molecule involved as both acceptor (with the NH3 (+)) and donor (through a single carboxylate O from two different aminocyclobutane carb-oxylate moities)], resulting in a two-dimensional layered structure lying parallel to (100).